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EC number: 269-198-6 | CAS number: 68189-42-4
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Explosiveness
Administrative data
- Endpoint:
- explosive properties of explosives
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 13 August - 23 October 2020
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Cross-reference
- Reason / purpose for cross-reference:
- reference to other study
Reference
- Endpoint:
- melting point/freezing point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 13-26 August 2020
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7200 (Melting Point / Melting Range)
- Version / remarks:
- 1998
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.1 (Melting / Freezing Temperature)
- Version / remarks:
- EC No. 440/2008
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 102 (Melting point / Melting Range)
- Version / remarks:
- 1995
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- differential scanning calorimetry
- Specific details on test material used for the study:
- Batch No.: 46587100
Storage: Refrigerator (approx. 2-8°C) - Key result
- Melting / freezing pt.:
- >= 162 - <= 163 °C
- Atm. press.:
- >= 1 002 - <= 1 004 hPa
- Decomposition:
- yes
- Decomp. temp.:
- ca. 210 °C
- Conclusions:
- The test item 4-NPP, di-TRIS (CAS no. 68189-42-4) has a melting range of 162-163°C at atmospheric pressure (1002-1004 hPa) as determined by Differential Scanning Calorimetry and capillary method according to Regulation (EC) No. 440/2008 Method A.1. and OECD Test Guideline 102 (1995).
- Executive summary:
The test item 4-NPP, di-TRIS (CAS no. 68189-42-4) has a melting range of 162-163°C at atmospheric pressure (1002-1004 hPa) as determined by Differential Scanning Calorimetry and capillary method according to Regulation (EC) No. 440/2008 Method A.1. and OECD Test Guideline 102 (1995).
During the heating phase a distinct endothermic effect was observed in the temperature range of 150-180°C, which can be assigned to the melting of the test item. The endothermic effect was directly followed by a small exothermic effect starting at a temperature of approx. 180°C with an average energy release of -20 J/g.
As the onset temperatures in both tests deviate by more than 0.5 K from their mean value of 162.51 °C, the test item has a melting range of 162-163°C.
A second exothermic effect was observed starting at a temperature of approx. 220°C with an average energy release of -290 J/g.
Measurement No. | Sample weight / mg | Onset of Effect / °C | Range of effect / °C | Weight loss / mg | Atmospheric pressure / hPa |
PN20063 | 7.72 | 163.23 | 150 – 180 (endo) | 3.86 | 1001.8 |
PN20065 | 9.53 | 161.78 | 150 – 180 (endo) | 4.57 | 1003.6 |
Optical verification using the capillary method
To verify the results of the DSC measurement, an additional measurement in a melting capillary was performed in the temperature range of 27°C to 225°C with a heating rate of 10 K/min. The test item started to melt at a temperature of approx. 140°C. At a temperature of 165°C the test item was completely molten (dark yellow liquid). At a temperature of 210°C the colour of the test item changed to orange. At a temperature of 225 °C the test item turned brown and rose inside the capillary. The test was terminated at a maximum temperature of 225 °C.
According to the observations during the test in the capillary method, the endothermic effect in the DSC measurements with open crucibles can be assigned to the melting of the test item.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 020
- Report date:
- 2020
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- other: OECD 113 (1981) Screening Test for Thermal Stability and Stability in Air
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- UN Manual of Tests and Criteria: Part I: Classification procedures, test methods and criteria relating to explosives of Class 1
- Version / remarks:
- Class 1 Test series 1 / 2, Test 1(b) / 2(b): Koenen Test
Class 1 Test series 1 / 2, Test 1(c) (i) / 2(c) (i): Time Pressure Test - Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
Test material
- Reference substance name:
- Methanol
- EC Number:
- 200-659-6
- EC Name:
- Methanol
- Cas Number:
- 67-56-1
- Molecular formula:
- CH4O
- IUPAC Name:
- methanol
- Reference substance name:
- Acetone
- EC Number:
- 200-662-2
- EC Name:
- Acetone
- Cas Number:
- 67-64-1
- Molecular formula:
- C3H6O
- IUPAC Name:
- acetone
- Reference substance name:
- Water
- EC Number:
- 231-791-2
- EC Name:
- Water
- Cas Number:
- 7732-18-5
- Molecular formula:
- H2O
- IUPAC Name:
- Oxidane
- Reference substance name:
- p-nitrophenyl dihydrogen phosphate, compound with 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:2)
- EC Number:
- 269-198-6
- EC Name:
- p-nitrophenyl dihydrogen phosphate, compound with 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:2)
- Cas Number:
- 68189-42-4
- Molecular formula:
- C6H6NO6P.2C4H11NO3
- IUPAC Name:
- 4-nitrophenyl dihydrogen phosphate - 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:2)
- Test material form:
- solid
- Details on test material:
- Batch / Lot No. 46587100
impurity 1
impurity 2
impurity 3
Constituent 1
- Specific details on test material used for the study:
- Batch No.: 46587100
Storage: Refrigerator (approx. 2-8°C)
Results and discussion
Small-scale preliminary tests
- Parameter:
- other: Exothermic decomposition energy (J/g)
- Value:
- -750
- Remarks on result:
- other: Explosivity could not be excluded as the DSC measurement was above the threshold of -500 J/g.
Results of test series for explosivesopen allclose all
- Key result
- Test series:
- other: UN Test series 1 and 2
- Method:
- UN Test 1 (c) (i): Time/pressure test
- Parameter:
- other: time (s) for pressure rise from 690 kPa to 2,070 kPa
- Result:
- result is considered "-" (negative)
- Remarks on result:
- p < 2070 kPa
- Key result
- Test series:
- other: UN Test series 1 and 2
- Method:
- UN Test 1 (b): Koenen test
- Parameter:
- limiting diameter (mm)
- Result:
- negative, no explosion
- Remarks on result:
- other: Appearance of the tube: unchanged
Any other information on results incl. tables
Thermal Stability OECD 113
The test item showed an endothermic effect starting at a temperature of approx. 140 °C, which can be assigned to the melting of the test item (see cross-reference). The endothermic effect was directly followed by a small exothermic effect starting at a temperature of 160 °C, with an average energy release of -10 J/g. A second exothermic effect was observed starting at a temperature of approx. 210 °C with an average energy release of -750 J/g. No further thermal effects could be observed up to the maximum test temperature of 500 °C. The results of the DSC measurements are summarized in the table below.
Measurement |
Crucible |
Sample weight / mg |
Start of effect / °C |
Energy / J/g |
PN20064 |
Glass / Air |
5.03 |
140 |
+100 (endothermic) |
PN20066 |
Glass / Air |
5.56 |
140 |
+80 (endothermic) |
Energies of exothermic effects are presented in the table as negative values and energies of endothermic effects as positive values.
Explosive Properties UN Class 1
The DSC measurements in closed crucibles showed a decomposition of the test item with an maximum overall decomposition energy of -760 J/g, meaning the decomposition energy goes beyond the threshold of -500 J/g to exclude explosive properties.
Due to the fact that the decomposition energy is above the threshold of -500 J/g the Koenen and the Time/Pressure Test had to be performed.
Explosive Properties; Thermal Sensitivity: Koenen Test
One series of three tests with a 1.0 mm diameter orifice plate were performed. Results of the Koenen Test are presented in the table below:
No. |
Sample weight / g |
Diameter orifice plate / mm |
Reaction time t /s |
Main |
Appearance of tube |
1 |
8.00 |
1 |
30 – 150 |
flame with emission of solid test item |
“O”: unchanged |
2 |
8.00 |
1 |
30 – 150 |
flame with emission of solid test item |
“O”: unchanged |
3 |
8.00 |
1 |
30 – 150 |
flame with emission of solid test item |
“O”: unchanged |
Due to the fact that the test series with an orifice plate diameter of 1.0 mm showed no explosion the UN Transport Regulation Test 1 (b) and 2 (b) is deemed to be “-”.
Explosive Properties; Time-Pressure Test
The results of the three tests conducted for the Time-Pressure test are summarised in the table below.
|
Test 1 |
Test 2 |
Test 3 |
Time [s] at 690 kPa |
Not reached |
Not reached |
Not reached |
Time [s] at 2,070 kPa |
Not reached |
Not reached |
Not reached |
Time for pressure rise [s] |
-/- |
-/- |
-/- |
Due to the fact that the test item did not reach a pressure of 2070 kPa, the UN Transport Regulation Test 1 (c) (i) and 2 (c) (i) deemed to be “-”.
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- According to the results of the tests on explosive properties (UN Transport Regulation, Test series 1 and 2), the test item does not have to be classified as explosive substance in class 1 according to the UN Transport Regulation nor as explosive substance according to GHS or CLP Regulation EC 1272/2008 Annex I: 2.1.
- Executive summary:
Thermal Stability (OECD 113)
The test item 4-NPP, di-TRIS (CAS no. 68189-42-4) showed an endothermic effect starting at a temperature of approx. 140 °C, which can be assigned to the melting of the test item (see cross-reference). The endothermic effect was directly followed by a small exothermic effect starting at a temperature of 160 °C, with an average energy release of -10 J/g. A second exothermic effect was observed starting at a temperature of approx. 210 °C with an average energy release of -750 J/g.
Explosive Properties UN Class 1
In the DSC measurements the energy of the exothermic decomposition of the test item 4-NPP, di-TRIS (CAS no. 68189-42-4) was > -500 J/g. Therefore, further tests on explosive properties had to be performed.
In the tests on explosive properties according to UN Transport Regulation, Test series 1 and 2, the test item showed no explosive properties.
According to the results of the tests on explosive properties, the test item is classified as follows:
UN Transport Regulation: The test item does not have to be classified as explosive substance in Class 1 according to the UN Transport Regulation.
GHS (CLP Regulation (EC) No. 1272/2008: Annex I: 2.1): The test item does not have to be classified as explosive substance according to GHS or CLP Regulation (EC) No. 1272/2008 Annex I: 2.1, respectively.
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